2-trimethylsilylethyl 4-oxobut-3-enoate

C9H16O3Si — CID 57154497

IUPAC2-trimethylsilylethyl 4-oxobut-3-enoate
SMILESC[Si](C)(C)CCOC(=O)CC=C=O
InChIInChI=1S/C9H16O3Si/c1-13(2,3)8-7-12-9(11)5-4-6-10/h4H,5,7-8H2,1-3H3
InChIKeyQGKQMNZUTAWMQH-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.65
Rot. Bonds5

About 2-trimethylsilylethyl 4-oxobut-3-enoate

2-trimethylsilylethyl 4-oxobut-3-enoate (PubChem CID 57154497) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is 2-trimethylsilylethyl 4-oxobut-3-enoate.

Molecular Properties

Compound Name2-trimethylsilylethyl 4-oxobut-3-enoate
PubChem CID57154497
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Name2-trimethylsilylethyl 4-oxobut-3-enoate
SMILESC[Si](C)(C)CCOC(=O)CC=C=O
InChIInChI=1S/C9H16O3Si/c1-13(2,3)8-7-12-9(11)5-4-6-10/h4H,5,7-8H2,1-3H3
InChIKeyQGKQMNZUTAWMQH-UHFFFAOYSA-N
XLogP1.65
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-trimethylsilylethyl 4-oxobut-3-enoate?
The IUPAC name of 2-trimethylsilylethyl 4-oxobut-3-enoate (CID 57154497) is 2-trimethylsilylethyl 4-oxobut-3-enoate.
What is the SMILES notation for 2-trimethylsilylethyl 4-oxobut-3-enoate?
The canonical SMILES for 2-trimethylsilylethyl 4-oxobut-3-enoate is C[Si](C)(C)CCOC(=O)CC=C=O.
What is the InChIKey of 2-trimethylsilylethyl 4-oxobut-3-enoate?
The InChIKey is QGKQMNZUTAWMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-13(2,3)8-7-12-9(11)5-4-6-10/h4H,5,7-8H2,1-3H3.
What are the key properties of 2-trimethylsilylethyl 4-oxobut-3-enoate?
2-trimethylsilylethyl 4-oxobut-3-enoate has a molecular weight of 200.31 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilylethyl 4-oxobut-3-enoate is sourced from PubChem (CID 57154497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).